SCHEMBL4715529

SCHEMBL4715529

C#Cc1ccc(NC(=N)c2cccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
GFER P55789 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.40
CASP3 P42574 1/20 0.40
CASP2 P42575 1/20 0.40
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9048452 0.88 NPC1 (0.60) NPC1RAB9AKMT2AMEN1TDP1
Iodide SCHEMBL6957865 0.86 NPC1 (0.58) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL7131317 0.83 MAPT (0.43) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL4409789 0.81 NPC1 (0.53) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL6280367 0.81 RAB9A (0.53) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL836124 0.81 NPC1 (0.77) NPC1RAB9AKMT2AMEN1TDP1
Iodide SCHEMBL4401423 0.80 NPC1 (0.51) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL4628336 0.79 NPC1 (0.51) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL9037874 0.79 NPC1 (0.80) NPC1RAB9AKMT2AMEN1TDP1
Iodide SCHEMBL5418758 0.77 NPC1 (0.50) NPC1RAB9AKMT2AMEN1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115720-B1 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2008-07-02 EP claimed
EP-0973763-B1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2003-05-28 EP claimed
EP-0973763-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A. (S.C.R.A.S.) (FR) 2000-01-26 EP claimed
WO-1998042696-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-10-01 WO claimed
EP-1115720-B1 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2008-07-02 EP disclosed
EP-0973763-B1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2003-05-28 EP disclosed
EP-1115720-A2 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP disclosed
WO-2000017191-A2 N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 WO disclosed
EP-0973763-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A. (S.C.R.A.S.) (FR) 2000-01-26 EP disclosed
WO-1998042696-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-10-01 WO disclosed